ethyl 2-[2-({5-[(4-methoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-({5-[(4-methoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-({5-[(4-methoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | K403-0854 |
| Compound Name: | ethyl 2-[2-({5-[(4-methoxybenzamido)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C26 H31 N5 O5 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C(C)Sc1nnc(CNC(c2ccc(cc2)OC)=O)n1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6616 |
| logD: | 1.3599 |
| logSw: | -4.1599 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.087 |
| InChI Key: | YXWYTIDGBNBMLH-HNNXBMFYSA-N |